1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine

C13H20N4O2 — CID 21152033

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
SMILESCOc1ccc(CN(N)C2=NCCCN2)cc1OC
InChIInChI=1S/C13H20N4O2/c1-18-11-5-4-10(8-12(11)19-2)9-17(14)13-15-6-3-7-16-13/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyNQOIMQNMISONLT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.73
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine

1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine (PubChem CID 21152033) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
PubChem CID21152033
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
SMILESCOc1ccc(CN(N)C2=NCCCN2)cc1OC
InChIInChI=1S/C13H20N4O2/c1-18-11-5-4-10(8-12(11)19-2)9-17(14)13-15-6-3-7-16-13/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyNQOIMQNMISONLT-UHFFFAOYSA-N
XLogP0.73
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 3044563
2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide
CID 119113056
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 11515358
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
2,6-dichloro-4-N,4-N,8-N,8-N-tetrakis[(3,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11457132
N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508443
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
CID 110913670
6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8845028

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine (CID 21152033) is 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine is COc1ccc(CN(N)C2=NCCCN2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
The InChIKey is NQOIMQNMISONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-18-11-5-4-10(8-12(11)19-2)9-17(14)13-15-6-3-7-16-13/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine has a molecular weight of 264.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine is sourced from PubChem (CID 21152033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).